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Diethylmalonic acid, 4-biphenyl undecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-biphenyl undecyl ester
SpectraBase Compound ID 23N6FKsT9U4
InChI InChI=1S/C30H42O4/c1-4-7-8-9-10-11-12-13-17-24-33-28(31)30(5-2,6-3)29(32)34-27-22-20-26(21-23-27)25-18-15-14-16-19-25/h14-16,18-23H,4-13,17,24H2,1-3H3
InChIKey UJLOIQCTYHXFCN-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C30H42O4
Exact Mass 466.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1C4HTwSFk0t
Name Diethylmalonic acid, 4-biphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.308309828 u
Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-4-7-8-9-10-11-12-13-17-24-33-28(31)30(5-2,6-3)29(32)34-27-22-20-26(21-23-27)25-18-15-14-16-19-25/h14-16,18-23H,4-13,17,24H2,1-3H3
InChIKey UJLOIQCTYHXFCN-UHFFFAOYSA-N
Molecular Weight 466.662 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)C1=CC=CC=C1)=O)CC